CID 3078378

2(3h)-oxazolone, 5-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H20Cl2FN3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C21H20Cl2FN3O2/c22-16-2-1-3-17(19(16)23)27-12-10-26(11-13-27)9-8-18-20(25-21(28)29-18)14-4-6-15(24)7-5-14/h1-7H,8-13H2,(H,25,28)
InChIKey
GPAVMJHIFCZOAA-UHFFFAOYSA-N
Compound name
5-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.09167 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.09895 202.1
[M+Na]+ 458.08089 218.1
[M+NH4]+ 453.12549 208.4
[M+K]+ 474.05483 210.7
[M-H]- 434.08439 207.6
[M+Na-2H]- 456.06634 209.2
[M]+ 435.09112 206.5
[M]- 435.09222 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.